| /dports/science/qmcpack/qmcpack-3.11.0/src/Particle/LongRange/ |
| H A D | KContainer.h | 66 std::vector<int> kshell; variable
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| H A D | TwoDEwaldHandler.cpp | 42 const std::vector<int>& kshell(KList.kshell); in fillFk() local
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| H A D | EwaldHandler3D.cpp | 58 const std::vector<int>& kshell(KList.kshell); in fillFk() local
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| H A D | EwaldHandler.cpp | 57 const std::vector<int>& kshell(KList.kshell); in fillFk() local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/recycling/wfn1/ |
| H A D | wfn1_2el_ints.F | 36 integer ishell, jshell, kshell, lshell, mem1, max1e local
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| /dports/science/xtb/xtb-6.4.1/src/type/ |
| H A D | param.f90 | 30 real(wp) :: kshell(0:3) = 0.0_wp component
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/ |
| H A D | tbint.h | 409 int kshell() const { return kcur; } in kshell() function
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| /dports/science/xtb/xtb-6.4.1/src/xtb/ |
| H A D | gfn0.f90 | 40 real(wp), parameter :: kshell(4) = [2.0000000_wp, 2.4868000_wp, 2.2700000_wp, 0.6000000_wp] variable
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| H A D | gfn2.f90 | 48 real(wp), parameter :: kshell(4) = [1.85_wp, 2.23_wp, 2.23_wp, 2.23_wp] variable
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| H A D | gfn1.f90 | 47 real(wp), parameter :: kshell(4) = [1.85_wp, 2.25_wp, 2.0_wp, 2.0_wp] variable
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/pbc/ |
| H A D | nr_direct.c | 53 int ishell, int jshell, int kshell, int lshell, in _assemble_eris()
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_types.F | 1260 INTEGER :: i, idx, ikind, ipgf, iset, ishell, j, jkind, jpgf, jset, jshell, k, kshell, l, & local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_types.F | 1943 INTEGER :: i, idx, ikind, ipgf, iset, ishell, j, jkind, jpgf, jset, jshell, k, kshell, l, & local
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